Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.37 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | EIF4E | P06730 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10304968 | 0.82 | BTK (0.42) | BTKTGFBR1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1526485 | 0.77 | BTK (0.44) | BTKTGFBR1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL3155981 | 0.74 | BTK (0.61) | BTKTGFBR1GABRA1GABRG2GABRB3 | |
| SCHEMBL21484628 | 0.73 | ALDH1A1 (0.51) | BTK | |
| SCHEMBL2184656 | 0.72 | RAB9A (0.49) | BTKHSP90AA1 | |
| SCHEMBL2652553 | 0.72 | HSP90AA1 (0.40) | BTKTGFBR1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL13745269 | 0.72 | HSP90AA1 (0.50) | BTKHSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1526291 | 0.71 | EIF4E (0.37) | BTKTGFBR1EIF4EGPBAR1 | |
| SCHEMBL1526295 | 0.71 | EIF4E (0.37) | BTKTGFBR1EIF4EGPBAR1 | |
| SCHEMBL15624596 | 0.71 | BTK (0.41) | BTKTGFBR1ALOX5APGABRA1GABRG2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | disclosed |
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |